新曲霉酸
TL;DR: 新曲霉酸 (CAS 101653-55-8) is a chemical compound with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新曲霉酸
1-hydroxy-3,6-bis(2-methylpropyl)pyrazin-2-one
Also Known As: Neoaspergillic acid, ASPERGILLIC ACID ANALOG, 3,6-Diisobutyl-1-hydroxy-2(1H)-pyrazinone, 1-Hydroxy-3,6-bis(2-methylpropyl)-2(1H)-pyrazinone, 1-hydroxy-3,6-diisobutyl-1H-pyrazin-2-one
| Molecular Formula | C12H20N2O2 |
|---|---|
| Molecular Weight | 224.15 g/mol |
| LogP | 1.8776 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.15248 |
| Heavy Atoms | 16 |
| Complexity | 407.97006 |
Chemical Identifiers
| CAS Number | 101653-55-8 |
|---|---|
| SMILES | CC(C)CC1=CN=C(C(=O)N1O)CC(C)C |
Product Overview
新曲霉酸 (CAS 101653-55-8), with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol. IUPAC: 1-hydroxy-3,6-bis(2-methylpropyl)pyrazin-2-one.
Chemical Property Profile of 新曲霉酸
Property Insights of 新曲霉酸
The XLogP value of 1.8776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新曲霉酸. With a topological polar surface area (TPSA) of 55.12 Ų, 新曲霉酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新曲霉酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 新曲霉酸?
The CAS number of 新曲霉酸 is 101653-55-8.
What is the molecular formula of 新曲霉酸?
The molecular formula of 新曲霉酸 is C12H20N2O2.
What is the molecular weight of 新曲霉酸?
The molecular weight of 新曲霉酸 is 224.15 g/mol.
Where can I buy 新曲霉酸?
You can request a quote for 新曲霉酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新曲霉酸?
Yes, KEHONG BIO provides custom synthesis services for 新曲霉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.